(S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate
TL;DR: (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate (CAS 1173674-35-5) is a chemical compound with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate
Also Known As: methyl N-[(4-phenylpiperazin-1-yl)carbonyl]-L-leucinate, (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate, methyl (2S)-4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate
| Molecular Formula | C18H27N3O3 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 2.1059 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.20523 |
| Heavy Atoms | 24 |
| Complexity | 539.69977 |
Chemical Identifiers
| CAS Number | 1173674-35-5 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=CC=C2 |
Product Overview
(S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate (CAS 1173674-35-5), with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol. IUPAC: methyl (2S)-4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate.
Chemical Property Profile of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate
Property Insights of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate
The XLogP value of 2.1059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate. Following Lipinski's Rule of Five, (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate?
The CAS number of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate is 1173674-35-5.
What is the molecular formula of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate?
The molecular formula of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate is C18H27N3O3.
What is the molecular weight of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate?
The molecular weight of (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate is 333.21 g/mol.
Where can I buy (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate?
You can request a quote for (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 4-methyl-2-(4-phenylpiperazine-1-carboxamido)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.